Structure Database (LMSD)

O O HO O O O
Systematic Name
6'',6''-Dimethylpyrano[2'',3'':6',5']-2'-hydroxy-3,4,4'-trimethoxychalcone
Synonyms
LM ID
LMPK12120314
Formula
C23H24O6
Exact Mass
Calculate m/z
396.15729
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Chalcones and dihydrochalcones [PK1212]

String Representations

InChiKey (Click to copy)
MYVVQLOQHTYUSA-SOFGYWHQSA-N
InChi (Click to copy)
InChI=1S/C23H24O6/c1-23(2)11-10-15-19(27-4)13-17(25)21(22(15)29-23)16(24)8-6-14-7-9-18(26-3)20(12-14)28-5/h6-13,25H,1-5H3/b8-6+
SMILES (Click to copy)
C1(OC)C(OC)=CC(/C=C/C(C2C3OC(C)(C)C=CC=3C(OC)=CC=2O)=O)=CC=1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

Other Databases

CHEBI ID
185879
METABOLOMICS ID
FL1CCFNP0001
PubChem CID
637127

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 3
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 376.56
Topological Polar Surface Area 76.29
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
logP 4.78
Molar Refractivity 111.82

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Updated at
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